3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]pentanedinitrile

Systemtic Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]pentanedinitrile Openeye Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]pentanedinitrile CAS Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-thiazolyl]pentanedinitrile IUPAC Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]pentanedinitrile Traditional Name: 3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiazol-2-yl]glutaronitrile Formula: C14H10N6S MolecularWeight: 294.3344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC2=NC=NC(=C21)C3=CN=C(S3)C(CC#N)CC#N

Isomeric SMILES

C1=CNC2=NC=NC(=C21)C3=CN=C(S3)C(CC#N)CC#N

InChI

InChI=1S/C14H10N6S/c15-4-1-9(2-5-16)14-18-7-11(21-14)12-10-3-6-17-13(10)20-8-19-12/h3,6-9H,1-2H2,(H,17,19,20)